Geometry & MOs

Info

ID:	123575
PubChem CID:	50854757
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-35.29
Dipole, Da:	6.58
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)N=CC2=CN(C=C2)C3CCCCC3

DOS

IR

Vibrations